5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one

C19H20N4O — CID 169489716

IUPAC5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one
SMILESO=C1N=c2ccc(NC3CCN(Cc4ccccc4)CC3)cc2=N1
InChIInChI=1S/C19H20N4O/c24-19-21-17-7-6-16(12-18(17)22-19)20-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,20H,8-11,13H2
InChIKeyKKHCBUZNQZLKGI-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.14
Rot. Bonds4

About 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one

5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one (PubChem CID 169489716) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one.

Molecular Properties

Compound Name5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one
PubChem CID169489716
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one
SMILESO=C1N=c2ccc(NC3CCN(Cc4ccccc4)CC3)cc2=N1
InChIInChI=1S/C19H20N4O/c24-19-21-17-7-6-16(12-18(17)22-19)20-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,20H,8-11,13H2
InChIKeyKKHCBUZNQZLKGI-UHFFFAOYSA-N
XLogP2.14
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one?
The IUPAC name of 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one (CID 169489716) is 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one.
What is the SMILES notation for 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one?
The canonical SMILES for 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one is O=C1N=c2ccc(NC3CCN(Cc4ccccc4)CC3)cc2=N1.
What is the InChIKey of 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one?
The InChIKey is KKHCBUZNQZLKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19-21-17-7-6-16(12-18(17)22-19)20-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15,20H,8-11,13H2.
What are the key properties of 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one?
5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one has a molecular weight of 320.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylpiperidin-4-yl)amino]benzimidazol-2-one is sourced from PubChem (CID 169489716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).